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- 2026
-
Mark
Numerical studies of strong protein interactions
Vinterbladh, Isabel LU
(2026)
- Thesis › Licentiate thesis
- 2025
-
Mark
Ultrafast two-electron transfer drives 2MLCT to 2LMCT excited state conversion in a novel iron(III) dual charge transfer absorber complex
Francis, Samuel ; Bolaño Losada, Iria LU ; Allande Calvet, Neus LU
; Chabera, Pavel
LU
; Rice, Craig R.
; Selby, Daniel
; Scattergood, Paul A.
; Yartsev, Arkady
LU
; Persson, Petter
LU
and Elliott, Paul I.P.
(2025)
- Working paper/Preprint › Preprint in preprint archive
-
Mark
Phosphorylation of ITIM motifs drives the structural transition of indoleamine 2,3-dioxygenase 1 between enzymatic and non-enzymatic states
- Contribution to journal › Article
-
Mark
The mechanism behind the oxidase activity of cellulose-active AA10 lytic polysaccharide monooxygenases
Wieduwilt, Erna K. ; Hagemann, Marlisa M. LU ; Ryde, Ulf LU
and Hedegård, Erik D.
LU
(2025)
In Inorganic Chemistry Frontiers
12(18).
p.5344-5359
- Contribution to journal › Article
-
Mark
Multidimensional Decomposition and Ensemble Modeling of Histatin 1 and Its Siblings : Detailing Structure and Biological Function Using an Integrative Approach
Svensson, Oskar LU ; Gerelli, Yuri and Skepö, Marie LU
(2025)
In Journal of Chemical Information and Modeling
65(13).
p.7089-7101
- Contribution to journal › Article
-
Mark
Critical evaluation of three cryo-EM structures of particulate methane monooxygenase by quantum refinement
Yuvaraj, Gayathri LU ; Lundgren, Kristoffer J.M. LU ; Veenman, Elija LU ; Oksanen, Esko LU and Ryde, Ulf LU
(2025)
In Acta crystallographica. Section D, Structural biology
81.
p.605-620
- Contribution to journal › Article
-
Mark
On the existence of prewetting in supracritical fluid mixtures
- Contribution to journal › Article
-
Mark
Photoinduced Hydrogen Evolution Catalyzed by Co(II) Complexes of N5-Donor Ligands
- Contribution to journal › Article
-
Mark
Enzyme Enhancement Through Computational Stability Design Targeting NMR-Determined Catalytic Hotspots
Gutierrez-Rus, Luis I. ; Vos, Eva ; Pantoja-Uceda, David ; Hoffka, Gyula LU ; Gutierrez-Cardenas, Jose ; Ortega-Muñoz, Mariano ; Risso, Valeria A. ; Jimenez, Maria Angeles ; Kamerlin, Shina C.L. LU
and Sanchez-Ruiz, Jose M.
(2025)
In Journal of the American Chemical Society
147(18).
p.14978-14996
- Contribution to journal › Article
-
Mark
Exploring the high sensitivity of DFT thermochemistry for protonation states of a ferredoxin model complex [ C H 3 S 4 Fe 2 III S 2 H ] −
- Contribution to journal › Article